Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(CS([OH+]S(=O)(=O)C1=CC=C(C)C=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1)=C(C#N)C#N

InChIKey

InChIKey=BGWOJLLEDXFXBQ-UHFFFAOYSA-O

Formula

C31H25F2N2O3S2

Mass

575.67

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

p-Methylbenzenesulfonates

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.

External Descriptors

Not available

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